Structure Database (LMSD)

Common Name
SFE 16:1(12Z)/2:0
Systematic Name
12Z-Hexadecenyl acetate
Synonyms
LM ID
LMFA07010363
Formula
C18H34O2
Exact Mass
Calculate m/z
282.255881
Sum Composition
SFE 18:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pseudexentera spoliana (#1888658)
Insecta (#50557)
IDENTIFICATION OF SEX PHEROMONE COMPONENTS FOR TWO LEPIDOPTERAN DEFOLIATORS, THE OAK OLETHREUTID LEAFROLLER, PSEUDEXENTERA SPOLIANA (CLEMENS), AND THE ASPEN LEAFROLLER, PSEUDEXENTERA OREGONANA (WALSINGHAM),
Can Entomol, 2012

String Representations

InChiKey (Click to copy)
MGPBZLCNYHCLEI-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h5-6H,3-4,7-17H2,1-2H3/b6-5-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCC/C=C\CCC

Other Databases

CHEBI ID
196178
PubChem CID
6431469

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 332.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.09
Molar Refractivity 87.34

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Created at
-
Updated at
2nd Jun 2025